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Combined kinetic analysis of solid‐state reactions: The integral method (ICKA)
International Journal of Chemical Kinetics ( IF 1.5 ) Pub Date : 2020-08-24 , DOI: 10.1002/kin.21416
M.D. Casal 1 , Gregorio Marbán 1
Affiliation  

In this work, we propose the first Integral method for the Combined Kinetic Analysis (ICKA) of solid‐state reactions typically performed in a thermogravimetric analyzer. The ICKA method prevents the systematic inaccuracies inherent to all the differential methods, including the standard CKA method. Two main achievements have been made for implementing the method: (1) the most accurate approximation for the general temperature integral yet developed, and (2) a general integral form of the kinetic model of the type g (α) = (abcZ)−1 [1 − (1 − αa)b]c, where Z is a parameter evaluated together with the preexponential factor and a, b, and c are fitting parameters. This expression allows any known kinetic model to be exactly or very closely reproduced. Together, the two developments yield an equation for the conversion, α, that has been successfully fitted to simulated conversion values of single‐step reaction processes following different kinetic models. The curve fitting resulted in the same values of the kinetic and model parameters as those from which the simulated conversion curves were originally built, proving the validity of the ICKA method.

中文翻译:

固态反应的组合动力学分析:积分法(ICKA)

在这项工作中,我们提出在第一为ntegral方法Ç ombined ķ inetic典型地在热重分析仪进行固态反应的nalysis(ICKA)。ICKA方法可防止所有差分方法(包括标准CKA方法)固有的系统误差。实施该方法取得了两个主要成就:(1)尚未开发的一般温度积分的最精确近似值;(2)g  (α)=(abcZ)类型的动力学模型的一般积分形式- 1  [1 - (1 - α一个b ] c ^,其中ž是与指数因子一起评估的参数,而abc是拟合参数。该表达式允许精确地或非常精确地复制任何已知的动力学模型。这两个发展共同产生了一个转换方程,α,已成功地拟合了遵循不同动力学模型的单步反应过程的模拟转换值。曲线拟合得出的动力学和模型参数值与最初建立模拟的转化曲线时得到的值相同,从而证明了ICKA方法的有效性。
更新日期:2020-10-30
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